SCHEMBL810061

SCHEMBL810061

NC(c1ccccc1)C(NS(=O)(=O)c1cccc2ccccc12)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 1/20 0.58
SLC1A2 P43004 1/20 0.58
SLC1A1 P43005 1/20 0.58
F2 P00734 2/20 0.47
PRSS1 P07477 2/20 0.47
PRSS2 P07478 2/20 0.47
PRSS3 P35030 2/20 0.47
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA9 Q16790 1/20 0.46
SCN1A P35498 2/20 0.44
SCN2A Q99250 2/20 0.44
SCN3A Q9NY46 2/20 0.44
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
HSD17B10 Q99714 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL31702015 1.00 SLC1A3 (0.58) SLC1A3SLC1A2SLC1A1F2PRSS1
SCHEMBL24541901 1.00 SLC1A3 (0.58) SLC1A3SLC1A2SLC1A1F2PRSS1
SCHEMBL985808 1.00 SLC1A3 (0.58) SLC1A3SLC1A2SLC1A1F2PRSS1
SCHEMBL24541928 0.87 SLC1A3 (0.56) SLC1A3SLC1A2SLC1A1F2PRSS1
SCHEMBL3232763 0.79 SLC1A3 (0.56) SLC1A3SLC1A2SLC1A1ALDH1A1CASP1
SCHEMBL7646219 0.79 SLC1A3 (0.56) SLC1A3SLC1A2SLC1A1ALDH1A1CASP1
SCHEMBL14455227 0.79 SLC1A3 (0.40) SLC1A3SLC1A2SLC1A1ALDH1A1CASP1
SCHEMBL7526406 0.79 SLC1A3 (0.56) SLC1A3SLC1A2SLC1A1ALDH1A1CASP1
SCHEMBL810894 0.79 PTGES2 (0.48) SLC1A3SLC1A2SLC1A1PGRACLY
SCHEMBL7613315 0.78 SLC1A3 (0.55) SLC1A3SLC1A2SLC1A1ALDH1A1CASP1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2399895-B1 Process for producing optically active aliphatic fluoroalcohol KANTO KAGAKU (JP) 2018-08-08 EP disclosed
US-9896402-B2 Method for preventing decrease in optical purity TAKASAGO INTERNATIONAL CORPORATION (JP) 2018-02-20 US disclosed
EP-2774908-B1 METHOD FOR PREVENTING DECREASE IN OPTICAL PURITY TAKASAGO PERFUMERY CO LTD (JP) 2017-02-08 EP disclosed
US-20140296582-A1 METHOD FOR PREVENTING DECREASE IN OPTICAL PURITY TAKASAGO INTERNATIONAL CORPORATION (JP) 2014-10-02 US disclosed
EP-2774908-A1 METHOD FOR PREVENTING DECREASE IN OPTICAL PURITY Takasago International Corporation (JP) 2014-09-10 EP disclosed
US-8558033-B2 Process for producing optically active aliphatic fluoroalcohol KANTO KAGAKU KABUSHIKI KAISHA (JP) 2013-10-15 US disclosed
US-20110319671-A1 PROCESS FOR PRODUCING OPTICALLY ACTIVE ALIPHATIC FLUOROALCOHOL KANTO KAGAKU KABUSHIKI KAISHA (JP) 2011-12-29 US disclosed
EP-2399895-A2 Process for producing optically active aliphatic fluoroalcohol Kanto Kagaku Kabushiki Kaisha (JP) 2011-12-28 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20140296582-A1 METHOD FOR PREVENTING DECREASE IN OPTICAL PURITY QDPR, NOX4, NOX5 SLC1A3 4768/4885SLC1A2 4840/4885SLC1A1 4831/4885
US-20110319671-A1 PROCESS FOR PRODUCING OPTICALLY ACTIVE ALIPHATIC FLUOROALCOHOL ADH1A, ADH1C, ADH5 SLC1A3 2827/4885SLC1A2 2106/4885SLC1A1 2249/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.